CAS Num: 004532-64-3
SMILES : SC(C(S)C)C
CHEM   : 2,3-Butanedithiol
MOL FOR: C4 H10 S2 
MOL WT : 122.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.05

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  158.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -58.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.67  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  356  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1761
       log Kow used: 2.05 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  728.58 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Thiols and Mercaptans

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.17E-004  atm-m3/mole  (2.20E+001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.439E-004 atm-m3/mole  (2.471E+001 Pa-m3/mole)
      VP:   2.67 mm Hg (source: MPBPVP)
      WS:   1.76E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.05  (KowWin est)
  Log Kaw used:  -2.052  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.102
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6893
   Biowin2 (Non-Linear Model)     :   0.7812
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9290  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6714  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2479
   Biowin6 (MITI Non-Linear Model):   0.2379
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3452
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  324 Pa (2.43 mm Hg)
  Log Koa (Koawin est  ): 4.102
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.26E-009 
       Octanol/air (Koa) model:  3.1E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.34E-007 
       Mackay model           :  7.41E-007 
       Octanol/air (Koa) model:  2.48E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 102.5593 E-12 cm3/molecule-sec
      Half-Life =     0.104 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.251 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.38E-007 (Junge-Pankow, Mackay avg)
      2.48E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  94.94  L/kg (MCI method)
      Log Koc:  1.977       (MCI method)
      Koc    :  60.09  L/kg (Kow method)
      Log Koc:  1.779       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.017 (BCF = 10.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1139 days (HL = 0.07693 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.900 (BCF = 7.947)
   Log BAF Arnot-Gobas method (upper trophic) = 0.900 (BAF = 7.947)
       log Kow used: 2.05 (estimated)

 Volatilization from Water:
    Henry LC:  0.000217 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.111  hours
    Half-Life from Model Lake :      137.6  hours   (5.732 days)

 Removal In Wastewater Treatment:
    Total removal:              11.51  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.04  percent
    Total to Air:                9.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.56            2.5          1000       
   Water     26.8            360          1000       
   Soil      72.4            720          1000       
   Sediment  0.152           3.24e+003    0          
     Persistence Time: 324 hr